N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H22N4O4S — CID 17461114

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H22N4O4S/c1-10-7-8-13(9-14(10)26(24,25)20(4)5)18-17(23)16(22)15-11(2)19-21(6)12(15)3/h7-9H,1-6H3,(H,18,23)
InChIKeyNZIYHZILVMLZMF-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.42
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 17461114) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID17461114
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H22N4O4S/c1-10-7-8-13(9-14(10)26(24,25)20(4)5)18-17(23)16(22)15-11(2)19-21(6)12(15)3/h7-9H,1-6H3,(H,18,23)
InChIKeyNZIYHZILVMLZMF-UHFFFAOYSA-N
XLogP1.42
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-5-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoate
CID 134063107
N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
CID 17458643
N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86923775
N-(3-chloro-4-piperidin-1-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52692875
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621304
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 17461114) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NZIYHZILVMLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-10-7-8-13(9-14(10)26(24,25)20(4)5)18-17(23)16(22)15-11(2)19-21(6)12(15)3/h7-9H,1-6H3,(H,18,23).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 17461114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).